⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5828041 | 1.00 | — | — | |
| SCHEMBL8735261 | 0.91 | KEAP1 (0.31) | — | |
| SCHEMBL8107870 | 0.91 | KEAP1 (0.31) | — | |
| SCHEMBL9709183 | 0.89 | KEAP1 (0.32) | — | |
| SCHEMBL8107874 | 0.84 | HCAR2 (0.39) | — | |
| SCHEMBL8107891 | 0.84 | HCAR2 (0.39) | — | |
| SCHEMBL9709193 | 0.82 | HCAR2 (0.41) | — | |
| SCHEMBL9709185 | 0.82 | HCAR2 (0.41) | — | |
| SCHEMBL57573 | 0.80 | — | — | |
| SCHEMBL31564977 | 0.78 | TSHR (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7067584-B2 | Solvent-containing coating material and the use thereof | BASF COATINGS AG (DE) | 2006-06-27 | — | — | US | claimed |
| US-20040019142-A1 | Solvent-containing coating material and the use thereof | RINK HEINZ-PETER (DE) | 2004-01-29 | — | — | US | claimed |
| US-4508884-A | COPOLYMER OF UNSATURATED SILICONE ESTER, UNSATURATED ESTER, HYDROP | COOPERVISION, INC. (US) | 1985-04-02 | — | — | US | disclosed |